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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50286916'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286916
PNG
(4-(Carboxymethyl-carbamoyl)-2-(2-methoxy-ethoxymet...)
Show SMILES COCCOCC(CC(Cc1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25NO7/c1-25-7-8-26-12-15(18(23)24)10-14(17(22)19-11-16(20)21)9-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,19,22)(H,20,21)(H,23,24)
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MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 945n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286916
PNG
(4-(Carboxymethyl-carbamoyl)-2-(2-methoxy-ethoxymet...)
Show SMILES COCCOCC(CC(Cc1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25NO7/c1-25-7-8-26-12-15(18(23)24)10-14(17(22)19-11-16(20)21)9-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,19,22)(H,20,21)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair